4RYY

Crystal structure of RPE65 in complex with R-emixustat and palmitate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2014-07-18
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97917
Spacegroup name	P 65
Unit cell lengths	175.844, 175.844, 86.424
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.910 - 2.300
R-factor	0.17937
Rwork	0.177
R-free	0.21533
Structure solution method	rigid body refinement
Starting model (for MR)	3fsn
RMSD bond length	0.012
RMSD bond angle	1.543
Data reduction software	XDS
Data scaling software	XDS
Phasing software	REFMAC
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.440
High resolution limit [Å]	2.300	2.300
Rmerge	0.120	0.922
Number of reflections	67069
<I/σ(I)>	8.8	1.22
Completeness [%]	99.4	98.2
Redundancy	3.1	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.5	281	40% PEG 300, 200 mM NaCl, 100 mM CHES, pH 9.5, VAPOR DIFFUSION, HANGING DROP, temperature 281K